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	hartrees
Energy at 0K	-316.602317
Energy at 298.15K
HF Energy	-315.459735
Nuclear repulsion energy	213.623048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	3117	12.70
2	A₁	2471	2471	0.14
3	A₁	857	857	6.55
4	A₁	584	584	0.49
5	A₁	169	169	25.08
6	A₂	356	356	0.00
7	E	2462	2462	1.67
7	E	2462	2462	1.67
8	E	1326	1326	4.14
8	E	1326	1326	4.14
9	E	1063	1063	19.53
9	E	1063	1063	19.53
10	E	588	588	0.07
10	E	588	588	0.07
11	E	355	355	0.47
11	E	355	355	0.47
12	E	134	134	7.97
12	E	134	134	7.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.507
H2	0.000	0.000	1.597
C3	0.000	1.405	0.057
C4	1.217	-0.702	0.057
C5	-1.217	-0.702	0.057
N6	0.000	2.502	-0.270
N7	2.167	-1.251	-0.270
N8	-2.167	-1.251	-0.270

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0908	1.4749	1.4749	1.4749	2.6200	2.6200	2.6200
H2	1.0908		2.0845	2.0845	2.0845	3.1222	3.1222	3.1222
C3	1.4749	2.0845		2.4333	2.4333	1.1452	3.4435	3.4435
C4	1.4749	2.0845	2.4333		2.4333	3.4435	1.1452	3.4435
C5	1.4749	2.0845	2.4333	2.4333		3.4435	3.4435	1.1452
N6	2.6200	3.1222	1.1452	3.4435	3.4435		4.3340	4.3340
N7	2.6200	3.1222	3.4435	1.1452	3.4435	4.3340		4.3340
N8	2.6200	3.1222	3.4435	3.4435	1.1452	4.3340	4.3340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	178.876	C1	C4	N7	178.876
C1	C5	N8	178.876	H2	C1	C3	107.731
H2	C1	C4	107.731	H2	C1	C5	107.731
C3	C1	C4	111.154	C3	C1	C5	111.154
C4	C1	C5	111.154

All results from a given calculation for CH(CN)₃ (tricyanomethane)

using model chemistry: MP3/Def2TZVPP

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH(CN)3 (tricyanomethane)

using model chemistry: MP3/Def2TZVPP

States and conformations

All results from a given calculation for CH(CN)₃ (tricyanomethane)